7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline

C26H22N4 — CID 68996385

IUPAC7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline
SMILESCN1Cc2cc(-c3ccc4cncnc4c3)ccc2C(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C26H22N4/c1-30-14-21-10-17(18-6-7-20-13-27-16-28-25(20)11-18)8-9-22(21)23(15-30)26-12-19-4-2-3-5-24(19)29-26/h2-13,16,23,29H,14-15H2,1H3
InChIKeyACFSQJNNIHWBAU-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.36
Rot. Bonds2

About 7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline

7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline (PubChem CID 68996385) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is 7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline.

Molecular Properties

Compound Name7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline
PubChem CID68996385
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC Name7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline
SMILESCN1Cc2cc(-c3ccc4cncnc4c3)ccc2C(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C26H22N4/c1-30-14-21-10-17(18-6-7-20-13-27-16-28-25(20)11-18)8-9-22(21)23(15-30)26-12-19-4-2-3-5-24(19)29-26/h2-13,16,23,29H,14-15H2,1H3
InChIKeyACFSQJNNIHWBAU-UHFFFAOYSA-N
XLogP5.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline with MolForge

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Related Compounds

4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68997392
2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine
CID 69000880
6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline
CID 68998697
2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68995347
4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine
CID 68995959
4-(1H-indol-6-yl)-2-methyl-7-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline
CID 68997600
4-(1H-indol-6-yl)-2-methyl-7-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 68998656
7-phenylquinazoline
CID 142441841
4-(1-benzothiophen-2-yl)-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline
CID 11602891
4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
CID 142757860
2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68996070
4-(1-benzothiophen-5-yl)-2-methyl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68997137

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline?
The IUPAC name of 7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline (CID 68996385) is 7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline.
What is the SMILES notation for 7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline?
The canonical SMILES for 7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline is CN1Cc2cc(-c3ccc4cncnc4c3)ccc2C(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline?
The InChIKey is ACFSQJNNIHWBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4/c1-30-14-21-10-17(18-6-7-20-13-27-16-28-25(20)11-18)8-9-22(21)23(15-30)26-12-19-4-2-3-5-24(19)29-26/h2-13,16,23,29H,14-15H2,1H3.
What are the key properties of 7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline?
7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline has a molecular weight of 390.49 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline is sourced from PubChem (CID 68996385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).